SCHEMBL6891915

SCHEMBL6891915

COC(=O)OC1CC(C)(C)CC(C)(C)C1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
APLNR P35414 1/20 0.32
LMNA P02545 2/20 0.32
NR1I2 O75469 1/20 0.32
ABCB11 O95342 1/20 0.32
GAA P10253 1/20 0.31
CYP1A2 P05177 2/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
DPP4 P27487 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
HIF1A Q16665 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25382269 0.84 APLNR (0.44) TSHRAPLNRLMNANR1I2ABCB11
SCHEMBL6891911 0.82 APLNR (0.31) APLNRGAA
SCHEMBL13148260 0.78 TSHR (0.41) TSHRAPLNRLMNAGAACYP1A2
SCHEMBL6335395 0.77 SCN9A (0.37) CYP1A2CYP2C19MEN1KMT2AHIF1A
SCHEMBL6886867 0.77 TSHR (0.33) TSHRAPLNR
SCHEMBL4629992 0.77 LMNA (0.54) APLNRLMNANR1I2ABCB11GAA
SCHEMBL4629991 0.77 LMNA (0.54) APLNRLMNANR1I2ABCB11GAA
SCHEMBL4630600 0.77 LMNA (0.54) APLNRLMNANR1I2ABCB11GAA
SCHEMBL11591693 0.77 LMNA (0.54) APLNRLMNANR1I2ABCB11GAA
SCHEMBL4629990 0.77 LMNA (0.54) APLNRLMNANR1I2ABCB11GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6677331-B2 HAVING SUBSTITUTED IMIDAZO(5,1-B)THIAZOLE GROUP AT 2-POSITION; MICROBIOCIDES AGAINST BETA-LACTAMASE PRODUCING BACTERIA AND RESISTANT PSEUDOMONAS MEIJI SEIKA KAISHA, LTD. (JP) 2004-01-13 US disclosed
US-20030149016-A1 Novel carbapenem derivatives KANO YUKO (JP) 2003-08-07 US disclosed
EP-1101766-A1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2001-05-23 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030149016-A1 Novel carbapenem derivatives DPEP1, TMPRSS15, STK35 TSHR 4209/4885APLNR 4737/4885LMNA 2043/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.